Geometry & MOs

Info

ID:	300091
PubChem CID:	119526773
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-38.09
Dipole, Da:	6.87
IP(EA), eV:	-8.95(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)N(CCC(=O)N3)C)N

DOS

IR

Vibrations